USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 74:sc= -0.489 USER MOD Single : A 10 THR OG1 : rot -168:sc= 0.0249 USER MOD Single : A 11 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.66) USER MOD Single : A 12 LYS NZ :NH3+ -130:sc= 0.825 (180deg=0.00095) USER MOD Single : A 20 ASN : amide:sc= 0.255 K(o=0.26,f=-3.2!) USER MOD Single : A 26 LYS NZ :NH3+ -128:sc= 0.608 (180deg=0.458) USER MOD Single : A 31 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= -0.0646 (180deg=-0.439) USER MOD ----------------------------------------------------------------- ATOM 20 N CYS A 2 -2.567 -8.895 -5.999 1.00 61.02 N ATOM 21 CA CYS A 2 -1.729 -7.799 -5.502 1.00 10.15 C ATOM 22 C CYS A 2 -2.599 -6.546 -5.332 1.00 73.13 C ATOM 23 O CYS A 2 -3.409 -6.235 -6.215 1.00 71.31 O ATOM 24 CB CYS A 2 -0.583 -7.519 -6.494 1.00 14.45 C ATOM 25 SG CYS A 2 0.433 -8.973 -6.929 1.00 60.42 S ATOM 0 HA CYS A 2 -1.294 -8.075 -4.541 1.00 10.15 H new ATOM 0 HB2 CYS A 2 -1.007 -7.104 -7.408 1.00 14.45 H new ATOM 0 HB3 CYS A 2 0.067 -6.754 -6.069 1.00 14.45 H new ATOM 30 N TYR A 3 -2.435 -5.829 -4.208 1.00 52.24 N ATOM 31 CA TYR A 3 -3.219 -4.615 -3.913 1.00 0.03 C ATOM 32 C TYR A 3 -2.580 -3.413 -4.620 1.00 12.43 C ATOM 33 O TYR A 3 -1.402 -3.125 -4.393 1.00 24.44 O ATOM 34 CB TYR A 3 -3.283 -4.382 -2.383 1.00 1.01 C ATOM 35 CG TYR A 3 -4.352 -3.380 -1.903 1.00 32.33 C ATOM 36 CD1 TYR A 3 -5.696 -3.556 -2.242 1.00 20.32 C ATOM 37 CD2 TYR A 3 -4.030 -2.290 -1.091 1.00 52.44 C ATOM 38 CE1 TYR A 3 -6.668 -2.681 -1.801 1.00 24.03 C ATOM 39 CE2 TYR A 3 -4.999 -1.415 -0.646 1.00 40.55 C ATOM 40 CZ TYR A 3 -6.318 -1.614 -1.002 1.00 72.12 C ATOM 41 OH TYR A 3 -7.293 -0.746 -0.557 1.00 14.22 O ATOM 0 H TYR A 3 -1.761 -6.071 -3.482 1.00 52.24 H new ATOM 0 HA TYR A 3 -4.238 -4.740 -4.280 1.00 0.03 H new ATOM 0 HB2 TYR A 3 -3.465 -5.340 -1.896 1.00 1.01 H new ATOM 0 HB3 TYR A 3 -2.307 -4.033 -2.046 1.00 1.01 H new ATOM 0 HD1 TYR A 3 -5.980 -4.394 -2.862 1.00 20.32 H new ATOM 0 HD2 TYR A 3 -3.001 -2.129 -0.806 1.00 52.44 H new ATOM 0 HE1 TYR A 3 -7.700 -2.832 -2.081 1.00 24.03 H new ATOM 0 HE2 TYR A 3 -4.727 -0.577 -0.021 1.00 40.55 H new ATOM 0 HH TYR A 3 -6.883 -0.049 -0.004 1.00 14.22 H new ATOM 51 N THR A 4 -3.354 -2.734 -5.474 1.00 71.55 N ATOM 52 CA THR A 4 -2.886 -1.580 -6.248 1.00 1.34 C ATOM 53 C THR A 4 -3.575 -0.302 -5.716 1.00 11.10 C ATOM 54 O THR A 4 -4.804 -0.183 -5.774 1.00 74.01 O ATOM 55 CB THR A 4 -3.175 -1.796 -7.767 1.00 14.42 C ATOM 56 OG1 THR A 4 -2.749 -3.114 -8.146 1.00 43.15 O ATOM 57 CG2 THR A 4 -2.465 -0.765 -8.661 1.00 32.41 C ATOM 0 H THR A 4 -4.330 -2.972 -5.648 1.00 71.55 H new ATOM 0 HA THR A 4 -1.808 -1.468 -6.133 1.00 1.34 H new ATOM 0 HB THR A 4 -4.248 -1.672 -7.912 1.00 14.42 H new ATOM 0 HG1 THR A 4 -2.930 -3.255 -9.099 1.00 43.15 H new ATOM 0 HG21 THR A 4 -2.703 -0.965 -9.706 1.00 32.41 H new ATOM 0 HG22 THR A 4 -2.801 0.238 -8.398 1.00 32.41 H new ATOM 0 HG23 THR A 4 -1.387 -0.837 -8.514 1.00 32.41 H new ATOM 65 N PHE A 5 -2.767 0.631 -5.193 1.00 23.23 N ATOM 66 CA PHE A 5 -3.242 1.821 -4.461 1.00 54.23 C ATOM 67 C PHE A 5 -2.345 3.021 -4.785 1.00 42.42 C ATOM 68 O PHE A 5 -1.126 2.890 -4.822 1.00 43.34 O ATOM 69 CB PHE A 5 -3.260 1.528 -2.935 1.00 21.04 C ATOM 70 CG PHE A 5 -1.961 0.925 -2.369 1.00 33.12 C ATOM 71 CD1 PHE A 5 -1.669 -0.418 -2.568 1.00 2.30 C ATOM 72 CD2 PHE A 5 -1.049 1.688 -1.633 1.00 22.51 C ATOM 73 CE1 PHE A 5 -0.528 -0.987 -2.068 1.00 12.31 C ATOM 74 CE2 PHE A 5 0.101 1.110 -1.125 1.00 3.23 C ATOM 75 CZ PHE A 5 0.355 -0.233 -1.344 1.00 41.13 C ATOM 0 H PHE A 5 -1.751 0.583 -5.266 1.00 23.23 H new ATOM 0 HA PHE A 5 -4.258 2.062 -4.773 1.00 54.23 H new ATOM 0 HB2 PHE A 5 -3.472 2.457 -2.405 1.00 21.04 H new ATOM 0 HB3 PHE A 5 -4.082 0.845 -2.722 1.00 21.04 H new ATOM 0 HD1 PHE A 5 -2.359 -1.029 -3.131 1.00 2.30 H new ATOM 0 HD2 PHE A 5 -1.244 2.736 -1.460 1.00 22.51 H new ATOM 0 HE1 PHE A 5 -0.325 -2.033 -2.245 1.00 12.31 H new ATOM 0 HE2 PHE A 5 0.800 1.707 -0.558 1.00 3.23 H new ATOM 0 HZ PHE A 5 1.250 -0.686 -0.943 1.00 41.13 H new ATOM 85 N ARG A 6 -2.958 4.198 -4.983 1.00 15.42 N ATOM 86 CA ARG A 6 -2.250 5.412 -5.436 1.00 51.44 C ATOM 87 C ARG A 6 -2.398 6.526 -4.400 1.00 52.44 C ATOM 88 O ARG A 6 -3.514 6.978 -4.119 1.00 12.20 O ATOM 89 CB ARG A 6 -2.811 5.871 -6.809 1.00 3.43 C ATOM 90 CG ARG A 6 -2.003 6.990 -7.519 1.00 54.32 C ATOM 91 CD ARG A 6 -2.551 7.287 -8.921 1.00 64.04 C ATOM 92 NE ARG A 6 -1.646 8.133 -9.723 1.00 14.34 N ATOM 93 CZ ARG A 6 -2.017 8.855 -10.799 1.00 2.13 C ATOM 94 NH1 ARG A 6 -3.279 8.865 -11.227 1.00 55.21 N ATOM 95 NH2 ARG A 6 -1.107 9.551 -11.468 1.00 4.04 N ATOM 0 H ARG A 6 -3.957 4.338 -4.835 1.00 15.42 H new ATOM 0 HA ARG A 6 -1.190 5.183 -5.549 1.00 51.44 H new ATOM 0 HB2 ARG A 6 -2.859 5.006 -7.470 1.00 3.43 H new ATOM 0 HB3 ARG A 6 -3.834 6.220 -6.666 1.00 3.43 H new ATOM 0 HG2 ARG A 6 -2.034 7.898 -6.917 1.00 54.32 H new ATOM 0 HG3 ARG A 6 -0.957 6.692 -7.593 1.00 54.32 H new ATOM 0 HD2 ARG A 6 -2.722 6.347 -9.446 1.00 64.04 H new ATOM 0 HD3 ARG A 6 -3.518 7.782 -8.831 1.00 64.04 H new ATOM 0 HE ARG A 6 -0.666 8.174 -9.442 1.00 14.34 H new ATOM 0 HH11 ARG A 6 -3.988 8.318 -10.738 1.00 55.21 H new ATOM 0 HH12 ARG A 6 -3.536 9.419 -12.044 1.00 55.21 H new ATOM 0 HH21 ARG A 6 -0.132 9.538 -11.167 1.00 4.04 H new ATOM 0 HH22 ARG A 6 -1.382 10.099 -12.283 1.00 4.04 H new ATOM 109 N SER A 7 -1.267 6.946 -3.815 1.00 32.02 N ATOM 110 CA SER A 7 -1.226 8.098 -2.904 1.00 22.34 C ATOM 111 C SER A 7 -0.965 9.352 -3.750 1.00 64.42 C ATOM 112 O SER A 7 0.158 9.574 -4.218 1.00 52.43 O ATOM 113 CB SER A 7 -0.138 7.925 -1.813 1.00 61.42 C ATOM 114 OG SER A 7 -0.192 8.980 -0.862 1.00 33.13 O ATOM 0 H SER A 7 -0.361 6.500 -3.959 1.00 32.02 H new ATOM 0 HA SER A 7 -2.176 8.187 -2.378 1.00 22.34 H new ATOM 0 HB2 SER A 7 -0.275 6.969 -1.308 1.00 61.42 H new ATOM 0 HB3 SER A 7 0.847 7.902 -2.279 1.00 61.42 H new ATOM 0 HG SER A 7 -0.969 8.854 -0.278 1.00 33.13 H new ATOM 120 N GLU A 8 -2.028 10.147 -3.973 1.00 4.30 N ATOM 121 CA GLU A 8 -1.983 11.338 -4.844 1.00 22.34 C ATOM 122 C GLU A 8 -1.267 12.539 -4.169 1.00 74.01 C ATOM 123 O GLU A 8 -1.156 13.611 -4.775 1.00 64.23 O ATOM 124 CB GLU A 8 -3.417 11.711 -5.310 1.00 72.42 C ATOM 125 CG GLU A 8 -4.119 10.612 -6.146 1.00 24.24 C ATOM 126 CD GLU A 8 -5.580 10.960 -6.505 1.00 74.11 C ATOM 127 OE1 GLU A 8 -6.478 10.721 -5.674 1.00 61.23 O ATOM 128 OE2 GLU A 8 -5.836 11.477 -7.613 1.00 63.34 O ATOM 0 H GLU A 8 -2.943 9.982 -3.554 1.00 4.30 H new ATOM 0 HA GLU A 8 -1.387 11.088 -5.721 1.00 22.34 H new ATOM 0 HB2 GLU A 8 -4.026 11.930 -4.433 1.00 72.42 H new ATOM 0 HB3 GLU A 8 -3.369 12.626 -5.901 1.00 72.42 H new ATOM 0 HG2 GLU A 8 -3.555 10.448 -7.064 1.00 24.24 H new ATOM 0 HG3 GLU A 8 -4.102 9.675 -5.590 1.00 24.24 H new ATOM 135 N CYS A 9 -0.780 12.342 -2.918 1.00 62.35 N ATOM 136 CA CYS A 9 0.153 13.281 -2.247 1.00 32.14 C ATOM 137 C CYS A 9 1.465 13.413 -3.056 1.00 64.02 C ATOM 138 O CYS A 9 2.039 14.505 -3.177 1.00 42.31 O ATOM 139 CB CYS A 9 0.475 12.797 -0.803 1.00 53.34 C ATOM 140 SG CYS A 9 -0.954 12.733 0.332 1.00 40.12 S ATOM 0 H CYS A 9 -1.022 11.531 -2.348 1.00 62.35 H new ATOM 0 HA CYS A 9 -0.331 14.256 -2.193 1.00 32.14 H new ATOM 0 HB2 CYS A 9 0.918 11.803 -0.861 1.00 53.34 H new ATOM 0 HB3 CYS A 9 1.229 13.458 -0.375 1.00 53.34 H new ATOM 145 N THR A 10 1.906 12.280 -3.618 1.00 71.13 N ATOM 146 CA THR A 10 3.110 12.185 -4.454 1.00 42.24 C ATOM 147 C THR A 10 2.691 11.898 -5.904 1.00 3.31 C ATOM 148 O THR A 10 3.456 12.168 -6.842 1.00 45.24 O ATOM 149 CB THR A 10 4.059 11.055 -3.932 1.00 3.53 C ATOM 150 OG1 THR A 10 3.355 9.796 -3.869 1.00 3.20 O ATOM 151 CG2 THR A 10 4.629 11.396 -2.545 1.00 60.40 C ATOM 0 H THR A 10 1.427 11.387 -3.502 1.00 71.13 H new ATOM 0 HA THR A 10 3.654 13.129 -4.408 1.00 42.24 H new ATOM 0 HB THR A 10 4.889 10.973 -4.634 1.00 3.53 H new ATOM 0 HG1 THR A 10 3.890 9.147 -3.367 1.00 3.20 H new ATOM 0 HG21 THR A 10 5.284 10.590 -2.213 1.00 60.40 H new ATOM 0 HG22 THR A 10 5.197 12.324 -2.603 1.00 60.40 H new ATOM 0 HG23 THR A 10 3.811 11.515 -1.835 1.00 60.40 H new ATOM 159 N ASN A 11 1.457 11.327 -6.038 1.00 33.54 N ATOM 160 CA ASN A 11 0.811 10.969 -7.320 1.00 31.02 C ATOM 161 C ASN A 11 1.369 9.634 -7.898 1.00 43.10 C ATOM 162 O ASN A 11 1.031 9.226 -9.017 1.00 71.21 O ATOM 163 CB ASN A 11 0.863 12.189 -8.294 1.00 73.12 C ATOM 164 CG ASN A 11 0.214 11.971 -9.659 1.00 32.34 C ATOM 165 OD1 ASN A 11 0.874 11.627 -10.641 1.00 3.31 O ATOM 166 ND2 ASN A 11 -1.091 12.159 -9.731 1.00 70.12 N ATOM 0 H ASN A 11 0.876 11.101 -5.230 1.00 33.54 H new ATOM 0 HA ASN A 11 -0.246 10.757 -7.157 1.00 31.02 H new ATOM 0 HB2 ASN A 11 0.377 13.037 -7.812 1.00 73.12 H new ATOM 0 HB3 ASN A 11 1.906 12.464 -8.447 1.00 73.12 H new ATOM 0 HD21 ASN A 11 -1.578 12.019 -10.616 1.00 70.12 H new ATOM 0 HD22 ASN A 11 -1.612 12.444 -8.901 1.00 70.12 H new ATOM 173 N LYS A 12 2.164 8.911 -7.076 1.00 23.24 N ATOM 174 CA LYS A 12 2.696 7.573 -7.430 1.00 53.55 C ATOM 175 C LYS A 12 1.693 6.483 -7.014 1.00 13.20 C ATOM 176 O LYS A 12 1.000 6.620 -5.995 1.00 13.24 O ATOM 177 CB LYS A 12 4.083 7.299 -6.764 1.00 12.12 C ATOM 178 CG LYS A 12 5.296 8.038 -7.385 1.00 54.30 C ATOM 179 CD LYS A 12 5.255 9.567 -7.176 1.00 63.03 C ATOM 180 CE LYS A 12 6.428 10.321 -7.821 1.00 22.23 C ATOM 181 NZ LYS A 12 6.219 11.793 -7.759 1.00 72.51 N ATOM 0 H LYS A 12 2.454 9.236 -6.154 1.00 23.24 H new ATOM 0 HA LYS A 12 2.838 7.552 -8.510 1.00 53.55 H new ATOM 0 HB2 LYS A 12 4.018 7.572 -5.711 1.00 12.12 H new ATOM 0 HB3 LYS A 12 4.277 6.227 -6.804 1.00 12.12 H new ATOM 0 HG2 LYS A 12 6.214 7.644 -6.949 1.00 54.30 H new ATOM 0 HG3 LYS A 12 5.333 7.826 -8.453 1.00 54.30 H new ATOM 0 HD2 LYS A 12 4.321 9.953 -7.584 1.00 63.03 H new ATOM 0 HD3 LYS A 12 5.247 9.776 -6.106 1.00 63.03 H new ATOM 0 HE2 LYS A 12 7.356 10.061 -7.311 1.00 22.23 H new ATOM 0 HE3 LYS A 12 6.537 10.010 -8.860 1.00 22.23 H new ATOM 0 HZ1 LYS A 12 6.369 12.205 -8.702 1.00 72.51 H new ATOM 0 HZ2 LYS A 12 5.248 11.993 -7.445 1.00 72.51 H new ATOM 0 HZ3 LYS A 12 6.893 12.211 -7.087 1.00 72.51 H new ATOM 195 N GLU A 13 1.618 5.411 -7.823 1.00 23.05 N ATOM 196 CA GLU A 13 0.779 4.227 -7.546 1.00 23.42 C ATOM 197 C GLU A 13 1.679 3.033 -7.205 1.00 65.25 C ATOM 198 O GLU A 13 2.776 2.890 -7.757 1.00 34.11 O ATOM 199 CB GLU A 13 -0.132 3.916 -8.755 1.00 11.14 C ATOM 200 CG GLU A 13 -1.111 2.738 -8.555 1.00 71.10 C ATOM 201 CD GLU A 13 -2.086 2.572 -9.722 1.00 0.35 C ATOM 202 OE1 GLU A 13 -1.628 2.251 -10.844 1.00 61.20 O ATOM 203 OE2 GLU A 13 -3.312 2.735 -9.532 1.00 25.13 O ATOM 0 H GLU A 13 2.142 5.340 -8.695 1.00 23.05 H new ATOM 0 HA GLU A 13 0.133 4.431 -6.692 1.00 23.42 H new ATOM 0 HB2 GLU A 13 -0.708 4.810 -8.995 1.00 11.14 H new ATOM 0 HB3 GLU A 13 0.498 3.702 -9.618 1.00 11.14 H new ATOM 0 HG2 GLU A 13 -0.542 1.817 -8.429 1.00 71.10 H new ATOM 0 HG3 GLU A 13 -1.675 2.893 -7.635 1.00 71.10 H new ATOM 210 N PHE A 14 1.198 2.183 -6.290 1.00 15.32 N ATOM 211 CA PHE A 14 1.988 1.125 -5.639 1.00 72.41 C ATOM 212 C PHE A 14 1.225 -0.197 -5.750 1.00 64.31 C ATOM 213 O PHE A 14 -0.003 -0.200 -5.863 1.00 44.23 O ATOM 214 CB PHE A 14 2.234 1.491 -4.146 1.00 71.20 C ATOM 215 CG PHE A 14 2.631 2.946 -3.938 1.00 3.13 C ATOM 216 CD1 PHE A 14 3.896 3.392 -4.303 1.00 0.23 C ATOM 217 CD2 PHE A 14 1.719 3.879 -3.430 1.00 33.42 C ATOM 218 CE1 PHE A 14 4.241 4.714 -4.157 1.00 64.31 C ATOM 219 CE2 PHE A 14 2.067 5.199 -3.291 1.00 12.23 C ATOM 220 CZ PHE A 14 3.331 5.618 -3.656 1.00 53.44 C ATOM 0 H PHE A 14 0.229 2.210 -5.973 1.00 15.32 H new ATOM 0 HA PHE A 14 2.956 1.026 -6.129 1.00 72.41 H new ATOM 0 HB2 PHE A 14 1.329 1.284 -3.575 1.00 71.20 H new ATOM 0 HB3 PHE A 14 3.018 0.847 -3.746 1.00 71.20 H new ATOM 0 HD1 PHE A 14 4.614 2.693 -4.705 1.00 0.23 H new ATOM 0 HD2 PHE A 14 0.729 3.556 -3.144 1.00 33.42 H new ATOM 0 HE1 PHE A 14 5.230 5.046 -4.436 1.00 64.31 H new ATOM 0 HE2 PHE A 14 1.354 5.908 -2.897 1.00 12.23 H new ATOM 0 HZ PHE A 14 3.607 6.657 -3.548 1.00 53.44 H new ATOM 230 N THR A 15 1.955 -1.309 -5.723 1.00 34.33 N ATOM 231 CA THR A 15 1.403 -2.655 -5.860 1.00 40.23 C ATOM 232 C THR A 15 2.146 -3.583 -4.892 1.00 44.43 C ATOM 233 O THR A 15 3.371 -3.732 -5.001 1.00 31.21 O ATOM 234 CB THR A 15 1.548 -3.138 -7.331 1.00 54.10 C ATOM 235 OG1 THR A 15 0.856 -2.226 -8.206 1.00 74.40 O ATOM 236 CG2 THR A 15 1.006 -4.555 -7.559 1.00 63.43 C ATOM 0 H THR A 15 2.968 -1.300 -5.603 1.00 34.33 H new ATOM 0 HA THR A 15 0.341 -2.661 -5.615 1.00 40.23 H new ATOM 0 HB THR A 15 2.616 -3.161 -7.550 1.00 54.10 H new ATOM 0 HG1 THR A 15 0.948 -2.529 -9.133 1.00 74.40 H new ATOM 0 HG21 THR A 15 1.138 -4.831 -8.605 1.00 63.43 H new ATOM 0 HG22 THR A 15 1.549 -5.258 -6.927 1.00 63.43 H new ATOM 0 HG23 THR A 15 -0.054 -4.584 -7.307 1.00 63.43 H new ATOM 244 N VAL A 16 1.418 -4.165 -3.922 1.00 3.10 N ATOM 245 CA VAL A 16 2.004 -5.049 -2.903 1.00 71.44 C ATOM 246 C VAL A 16 1.380 -6.463 -3.008 1.00 12.44 C ATOM 247 O VAL A 16 0.169 -6.656 -2.827 1.00 32.33 O ATOM 248 CB VAL A 16 1.873 -4.414 -1.461 1.00 33.40 C ATOM 249 CG1 VAL A 16 0.407 -4.269 -0.982 1.00 13.44 C ATOM 250 CG2 VAL A 16 2.741 -5.169 -0.423 1.00 21.21 C ATOM 0 H VAL A 16 0.411 -4.035 -3.824 1.00 3.10 H new ATOM 0 HA VAL A 16 3.073 -5.158 -3.086 1.00 71.44 H new ATOM 0 HB VAL A 16 2.260 -3.399 -1.547 1.00 33.40 H new ATOM 0 HG11 VAL A 16 0.392 -3.827 0.014 1.00 13.44 H new ATOM 0 HG12 VAL A 16 -0.140 -3.627 -1.673 1.00 13.44 H new ATOM 0 HG13 VAL A 16 -0.064 -5.251 -0.950 1.00 13.44 H new ATOM 0 HG21 VAL A 16 2.625 -4.704 0.556 1.00 21.21 H new ATOM 0 HG22 VAL A 16 2.422 -6.210 -0.370 1.00 21.21 H new ATOM 0 HG23 VAL A 16 3.788 -5.125 -0.724 1.00 21.21 H new ATOM 260 N CYS A 17 2.223 -7.435 -3.384 1.00 45.14 N ATOM 261 CA CYS A 17 1.819 -8.827 -3.602 1.00 24.24 C ATOM 262 C CYS A 17 2.102 -9.659 -2.342 1.00 74.12 C ATOM 263 O CYS A 17 3.239 -10.095 -2.115 1.00 55.43 O ATOM 264 CB CYS A 17 2.566 -9.399 -4.827 1.00 61.41 C ATOM 265 SG CYS A 17 2.302 -8.442 -6.361 1.00 34.30 S ATOM 0 H CYS A 17 3.217 -7.272 -3.547 1.00 45.14 H new ATOM 0 HA CYS A 17 0.748 -8.870 -3.802 1.00 24.24 H new ATOM 0 HB2 CYS A 17 3.633 -9.431 -4.608 1.00 61.41 H new ATOM 0 HB3 CYS A 17 2.243 -10.427 -4.991 1.00 61.41 H new ATOM 270 N ARG A 18 1.067 -9.825 -1.503 1.00 11.40 N ATOM 271 CA ARG A 18 1.113 -10.685 -0.307 1.00 34.04 C ATOM 272 C ARG A 18 0.029 -11.782 -0.439 1.00 13.33 C ATOM 273 O ARG A 18 -1.046 -11.513 -0.996 1.00 33.00 O ATOM 274 CB ARG A 18 0.897 -9.843 0.989 1.00 54.13 C ATOM 275 CG ARG A 18 1.929 -8.710 1.210 1.00 2.41 C ATOM 276 CD ARG A 18 3.373 -9.231 1.332 1.00 55.31 C ATOM 277 NE ARG A 18 3.538 -10.185 2.450 1.00 4.42 N ATOM 278 CZ ARG A 18 4.700 -10.778 2.804 1.00 25.32 C ATOM 279 NH1 ARG A 18 5.828 -10.557 2.130 1.00 32.51 N ATOM 280 NH2 ARG A 18 4.734 -11.582 3.852 1.00 55.34 N ATOM 0 H ARG A 18 0.167 -9.363 -1.636 1.00 11.40 H new ATOM 0 HA ARG A 18 2.095 -11.153 -0.232 1.00 34.04 H new ATOM 0 HB2 ARG A 18 -0.101 -9.405 0.958 1.00 54.13 H new ATOM 0 HB3 ARG A 18 0.925 -10.513 1.849 1.00 54.13 H new ATOM 0 HG2 ARG A 18 1.871 -8.006 0.380 1.00 2.41 H new ATOM 0 HG3 ARG A 18 1.669 -8.160 2.114 1.00 2.41 H new ATOM 0 HD2 ARG A 18 3.661 -9.716 0.399 1.00 55.31 H new ATOM 0 HD3 ARG A 18 4.049 -8.388 1.475 1.00 55.31 H new ATOM 0 HE ARG A 18 2.709 -10.414 2.998 1.00 4.42 H new ATOM 0 HH11 ARG A 18 5.827 -9.928 1.327 1.00 32.51 H new ATOM 0 HH12 ARG A 18 6.692 -11.017 2.417 1.00 32.51 H new ATOM 0 HH21 ARG A 18 3.885 -11.753 4.391 1.00 55.34 H new ATOM 0 HH22 ARG A 18 5.609 -12.031 4.122 1.00 55.34 H new ATOM 294 N PRO A 19 0.275 -13.037 0.077 1.00 54.13 N ATOM 295 CA PRO A 19 -0.687 -14.171 -0.068 1.00 65.10 C ATOM 296 C PRO A 19 -1.925 -14.033 0.849 1.00 73.31 C ATOM 297 O PRO A 19 -2.803 -14.901 0.848 1.00 40.01 O ATOM 298 CB PRO A 19 0.176 -15.404 0.314 1.00 70.54 C ATOM 299 CG PRO A 19 1.170 -14.866 1.303 1.00 50.34 C ATOM 300 CD PRO A 19 1.492 -13.451 0.839 1.00 1.35 C ATOM 0 HA PRO A 19 -1.114 -14.229 -1.069 1.00 65.10 H new ATOM 0 HB2 PRO A 19 -0.432 -16.196 0.751 1.00 70.54 H new ATOM 0 HB3 PRO A 19 0.672 -15.828 -0.559 1.00 70.54 H new ATOM 0 HG2 PRO A 19 0.756 -14.862 2.311 1.00 50.34 H new ATOM 0 HG3 PRO A 19 2.068 -15.483 1.330 1.00 50.34 H new ATOM 0 HD2 PRO A 19 1.680 -12.787 1.683 1.00 1.35 H new ATOM 0 HD3 PRO A 19 2.383 -13.429 0.211 1.00 1.35 H new ATOM 308 N ASN A 20 -1.982 -12.923 1.607 1.00 63.30 N ATOM 309 CA ASN A 20 -3.059 -12.619 2.558 1.00 0.50 C ATOM 310 C ASN A 20 -3.249 -11.081 2.647 1.00 54.12 C ATOM 311 O ASN A 20 -2.278 -10.334 2.459 1.00 41.41 O ATOM 312 CB ASN A 20 -2.704 -13.213 3.949 1.00 72.24 C ATOM 313 CG ASN A 20 -1.431 -12.630 4.595 1.00 51.43 C ATOM 314 OD1 ASN A 20 -0.535 -12.114 3.920 1.00 32.53 O ATOM 315 ND2 ASN A 20 -1.333 -12.738 5.907 1.00 63.40 N ATOM 0 H ASN A 20 -1.264 -12.199 1.572 1.00 63.30 H new ATOM 0 HA ASN A 20 -3.993 -13.066 2.218 1.00 0.50 H new ATOM 0 HB2 ASN A 20 -3.544 -13.049 4.624 1.00 72.24 H new ATOM 0 HB3 ASN A 20 -2.582 -14.291 3.848 1.00 72.24 H new ATOM 0 HD21 ASN A 20 -0.502 -12.391 6.387 1.00 63.40 H new ATOM 0 HD22 ASN A 20 -2.088 -13.169 6.441 1.00 63.40 H new ATOM 322 N PRO A 21 -4.497 -10.578 2.926 1.00 1.31 N ATOM 323 CA PRO A 21 -4.738 -9.123 3.128 1.00 13.42 C ATOM 324 C PRO A 21 -4.118 -8.590 4.443 1.00 33.33 C ATOM 325 O PRO A 21 -3.968 -7.392 4.593 1.00 23.41 O ATOM 326 CB PRO A 21 -6.281 -9.012 3.130 1.00 54.25 C ATOM 327 CG PRO A 21 -6.757 -10.358 3.588 1.00 43.41 C ATOM 328 CD PRO A 21 -5.763 -11.361 3.026 1.00 22.14 C ATOM 0 HA PRO A 21 -4.267 -8.516 2.355 1.00 13.42 H new ATOM 0 HB2 PRO A 21 -6.621 -8.222 3.800 1.00 54.25 H new ATOM 0 HB3 PRO A 21 -6.662 -8.773 2.137 1.00 54.25 H new ATOM 0 HG2 PRO A 21 -6.793 -10.411 4.676 1.00 43.41 H new ATOM 0 HG3 PRO A 21 -7.765 -10.561 3.225 1.00 43.41 H new ATOM 0 HD2 PRO A 21 -5.650 -12.225 3.681 1.00 22.14 H new ATOM 0 HD3 PRO A 21 -6.080 -11.738 2.054 1.00 22.14 H new ATOM 336 N GLU A 22 -3.733 -9.507 5.348 1.00 31.13 N ATOM 337 CA GLU A 22 -3.212 -9.192 6.701 1.00 3.04 C ATOM 338 C GLU A 22 -1.884 -8.381 6.612 1.00 22.03 C ATOM 339 O GLU A 22 -1.732 -7.354 7.290 1.00 12.34 O ATOM 340 CB GLU A 22 -3.036 -10.537 7.498 1.00 13.32 C ATOM 341 CG GLU A 22 -3.535 -10.538 8.965 1.00 3.44 C ATOM 342 CD GLU A 22 -2.660 -9.733 9.935 1.00 40.24 C ATOM 343 OE1 GLU A 22 -1.655 -10.277 10.435 1.00 5.34 O ATOM 344 OE2 GLU A 22 -2.959 -8.550 10.200 1.00 44.32 O ATOM 0 H GLU A 22 -3.774 -10.509 5.161 1.00 31.13 H new ATOM 0 HA GLU A 22 -3.921 -8.560 7.236 1.00 3.04 H new ATOM 0 HB2 GLU A 22 -3.560 -11.325 6.958 1.00 13.32 H new ATOM 0 HB3 GLU A 22 -1.978 -10.799 7.497 1.00 13.32 H new ATOM 0 HG2 GLU A 22 -4.548 -10.137 8.991 1.00 3.44 H new ATOM 0 HG3 GLU A 22 -3.591 -11.568 9.316 1.00 3.44 H new ATOM 351 N GLU A 23 -0.935 -8.856 5.770 1.00 51.45 N ATOM 352 CA GLU A 23 0.336 -8.139 5.485 1.00 62.53 C ATOM 353 C GLU A 23 0.129 -6.998 4.479 1.00 62.25 C ATOM 354 O GLU A 23 0.871 -6.011 4.519 1.00 71.44 O ATOM 355 CB GLU A 23 1.455 -9.120 4.996 1.00 73.33 C ATOM 356 CG GLU A 23 2.320 -9.724 6.125 1.00 15.41 C ATOM 357 CD GLU A 23 1.528 -10.549 7.155 1.00 4.32 C ATOM 358 OE1 GLU A 23 1.321 -11.750 6.928 1.00 40.12 O ATOM 359 OE2 GLU A 23 1.114 -9.997 8.198 1.00 14.45 O ATOM 0 H GLU A 23 -1.026 -9.741 5.271 1.00 51.45 H new ATOM 0 HA GLU A 23 0.669 -7.697 6.424 1.00 62.53 H new ATOM 0 HB2 GLU A 23 0.989 -9.933 4.439 1.00 73.33 H new ATOM 0 HB3 GLU A 23 2.106 -8.590 4.301 1.00 73.33 H new ATOM 0 HG2 GLU A 23 3.086 -10.359 5.680 1.00 15.41 H new ATOM 0 HG3 GLU A 23 2.837 -8.916 6.643 1.00 15.41 H new ATOM 366 N VAL A 24 -0.871 -7.142 3.572 1.00 41.22 N ATOM 367 CA VAL A 24 -1.231 -6.080 2.610 1.00 63.14 C ATOM 368 C VAL A 24 -1.583 -4.779 3.349 1.00 65.33 C ATOM 369 O VAL A 24 -1.033 -3.741 3.030 1.00 71.31 O ATOM 370 CB VAL A 24 -2.433 -6.494 1.667 1.00 73.41 C ATOM 371 CG1 VAL A 24 -3.052 -5.271 0.944 1.00 62.35 C ATOM 372 CG2 VAL A 24 -1.999 -7.567 0.638 1.00 21.45 C ATOM 0 H VAL A 24 -1.440 -7.985 3.491 1.00 41.22 H new ATOM 0 HA VAL A 24 -0.356 -5.923 1.980 1.00 63.14 H new ATOM 0 HB VAL A 24 -3.202 -6.924 2.310 1.00 73.41 H new ATOM 0 HG11 VAL A 24 -3.873 -5.602 0.308 1.00 62.35 H new ATOM 0 HG12 VAL A 24 -3.428 -4.563 1.683 1.00 62.35 H new ATOM 0 HG13 VAL A 24 -2.291 -4.787 0.332 1.00 62.35 H new ATOM 0 HG21 VAL A 24 -2.847 -7.829 0.006 1.00 21.45 H new ATOM 0 HG22 VAL A 24 -1.193 -7.172 0.019 1.00 21.45 H new ATOM 0 HG23 VAL A 24 -1.650 -8.456 1.164 1.00 21.45 H new ATOM 382 N GLU A 25 -2.479 -4.887 4.352 1.00 31.55 N ATOM 383 CA GLU A 25 -3.007 -3.736 5.114 1.00 50.13 C ATOM 384 C GLU A 25 -1.876 -2.947 5.773 1.00 52.02 C ATOM 385 O GLU A 25 -1.868 -1.717 5.711 1.00 25.53 O ATOM 386 CB GLU A 25 -4.022 -4.210 6.186 1.00 10.53 C ATOM 387 CG GLU A 25 -5.323 -4.800 5.614 1.00 32.01 C ATOM 388 CD GLU A 25 -6.248 -5.344 6.709 1.00 22.33 C ATOM 389 OE1 GLU A 25 -7.068 -4.566 7.246 1.00 32.15 O ATOM 390 OE2 GLU A 25 -6.135 -6.541 7.060 1.00 23.24 O ATOM 0 H GLU A 25 -2.859 -5.783 4.658 1.00 31.55 H new ATOM 0 HA GLU A 25 -3.519 -3.078 4.412 1.00 50.13 H new ATOM 0 HB2 GLU A 25 -3.543 -4.960 6.815 1.00 10.53 H new ATOM 0 HB3 GLU A 25 -4.272 -3.367 6.830 1.00 10.53 H new ATOM 0 HG2 GLU A 25 -5.849 -4.032 5.047 1.00 32.01 H new ATOM 0 HG3 GLU A 25 -5.080 -5.601 4.916 1.00 32.01 H new ATOM 397 N LYS A 26 -0.916 -3.688 6.372 1.00 14.23 N ATOM 398 CA LYS A 26 0.261 -3.108 7.035 1.00 62.13 C ATOM 399 C LYS A 26 1.038 -2.199 6.067 1.00 14.52 C ATOM 400 O LYS A 26 1.218 -1.011 6.328 1.00 22.34 O ATOM 401 CB LYS A 26 1.206 -4.226 7.563 1.00 4.15 C ATOM 402 CG LYS A 26 0.602 -5.154 8.637 1.00 34.40 C ATOM 403 CD LYS A 26 1.610 -6.242 9.093 1.00 20.30 C ATOM 404 CE LYS A 26 1.041 -7.189 10.159 1.00 30.23 C ATOM 405 NZ LYS A 26 -0.169 -7.899 9.665 1.00 31.11 N ATOM 0 H LYS A 26 -0.941 -4.707 6.406 1.00 14.23 H new ATOM 0 HA LYS A 26 -0.093 -2.514 7.878 1.00 62.13 H new ATOM 0 HB2 LYS A 26 1.525 -4.836 6.718 1.00 4.15 H new ATOM 0 HB3 LYS A 26 2.100 -3.758 7.974 1.00 4.15 H new ATOM 0 HG2 LYS A 26 0.294 -4.561 9.498 1.00 34.40 H new ATOM 0 HG3 LYS A 26 -0.294 -5.632 8.242 1.00 34.40 H new ATOM 0 HD2 LYS A 26 1.920 -6.826 8.227 1.00 20.30 H new ATOM 0 HD3 LYS A 26 2.503 -5.757 9.487 1.00 20.30 H new ATOM 0 HE2 LYS A 26 1.801 -7.917 10.444 1.00 30.23 H new ATOM 0 HE3 LYS A 26 0.791 -6.622 11.056 1.00 30.23 H new ATOM 0 HZ1 LYS A 26 -0.944 -7.781 10.348 1.00 31.11 H new ATOM 0 HZ2 LYS A 26 -0.453 -7.503 8.747 1.00 31.11 H new ATOM 0 HZ3 LYS A 26 0.043 -8.911 9.554 1.00 31.11 H new ATOM 419 N GLU A 27 1.411 -2.777 4.914 1.00 54.51 N ATOM 420 CA GLU A 27 2.267 -2.117 3.920 1.00 72.54 C ATOM 421 C GLU A 27 1.515 -0.994 3.198 1.00 43.02 C ATOM 422 O GLU A 27 2.082 0.048 2.930 1.00 22.35 O ATOM 423 CB GLU A 27 2.812 -3.157 2.900 1.00 52.11 C ATOM 424 CG GLU A 27 3.561 -4.351 3.543 1.00 14.15 C ATOM 425 CD GLU A 27 4.634 -3.922 4.566 1.00 54.45 C ATOM 426 OE1 GLU A 27 5.643 -3.297 4.164 1.00 34.34 O ATOM 427 OE2 GLU A 27 4.461 -4.182 5.778 1.00 61.01 O ATOM 0 H GLU A 27 1.125 -3.719 4.646 1.00 54.51 H new ATOM 0 HA GLU A 27 3.110 -1.668 4.445 1.00 72.54 H new ATOM 0 HB2 GLU A 27 1.979 -3.541 2.311 1.00 52.11 H new ATOM 0 HB3 GLU A 27 3.486 -2.651 2.208 1.00 52.11 H new ATOM 0 HG2 GLU A 27 2.838 -5.001 4.037 1.00 14.15 H new ATOM 0 HG3 GLU A 27 4.034 -4.940 2.757 1.00 14.15 H new ATOM 434 N ALA A 28 0.215 -1.217 2.945 1.00 44.11 N ATOM 435 CA ALA A 28 -0.624 -0.319 2.142 1.00 72.50 C ATOM 436 C ALA A 28 -0.808 1.024 2.844 1.00 43.43 C ATOM 437 O ALA A 28 -0.525 2.081 2.266 1.00 12.42 O ATOM 438 CB ALA A 28 -1.986 -0.969 1.831 1.00 72.30 C ATOM 0 H ALA A 28 -0.285 -2.033 3.296 1.00 44.11 H new ATOM 0 HA ALA A 28 -0.115 -0.138 1.195 1.00 72.50 H new ATOM 0 HB1 ALA A 28 -2.589 -0.284 1.235 1.00 72.30 H new ATOM 0 HB2 ALA A 28 -1.830 -1.893 1.274 1.00 72.30 H new ATOM 0 HB3 ALA A 28 -2.505 -1.191 2.764 1.00 72.30 H new ATOM 444 N ARG A 29 -1.232 0.959 4.117 1.00 13.12 N ATOM 445 CA ARG A 29 -1.515 2.152 4.918 1.00 52.13 C ATOM 446 C ARG A 29 -0.217 2.855 5.330 1.00 53.23 C ATOM 447 O ARG A 29 -0.194 4.070 5.362 1.00 30.23 O ATOM 448 CB ARG A 29 -2.383 1.810 6.160 1.00 32.14 C ATOM 449 CG ARG A 29 -1.693 0.964 7.243 1.00 43.54 C ATOM 450 CD ARG A 29 -2.683 0.452 8.300 1.00 43.44 C ATOM 451 NE ARG A 29 -2.031 -0.459 9.250 1.00 14.32 N ATOM 452 CZ ARG A 29 -2.588 -1.561 9.768 1.00 22.04 C ATOM 453 NH1 ARG A 29 -3.826 -1.925 9.452 1.00 45.23 N ATOM 454 NH2 ARG A 29 -1.888 -2.311 10.611 1.00 13.04 N ATOM 0 H ARG A 29 -1.386 0.081 4.614 1.00 13.12 H new ATOM 0 HA ARG A 29 -2.089 2.839 4.296 1.00 52.13 H new ATOM 0 HB2 ARG A 29 -2.720 2.742 6.613 1.00 32.14 H new ATOM 0 HB3 ARG A 29 -3.274 1.280 5.823 1.00 32.14 H new ATOM 0 HG2 ARG A 29 -1.193 0.116 6.775 1.00 43.54 H new ATOM 0 HG3 ARG A 29 -0.921 1.560 7.730 1.00 43.54 H new ATOM 0 HD2 ARG A 29 -3.111 1.297 8.839 1.00 43.44 H new ATOM 0 HD3 ARG A 29 -3.508 -0.063 7.808 1.00 43.44 H new ATOM 0 HE ARG A 29 -1.079 -0.234 9.538 1.00 14.32 H new ATOM 0 HH11 ARG A 29 -4.373 -1.361 8.802 1.00 45.23 H new ATOM 0 HH12 ARG A 29 -4.229 -2.769 9.859 1.00 45.23 H new ATOM 0 HH21 ARG A 29 -0.935 -2.046 10.859 1.00 13.04 H new ATOM 0 HH22 ARG A 29 -2.304 -3.152 11.011 1.00 13.04 H new ATOM 468 N ARG A 30 0.867 2.089 5.624 1.00 31.12 N ATOM 469 CA ARG A 30 2.169 2.692 5.992 1.00 44.34 C ATOM 470 C ARG A 30 2.776 3.445 4.800 1.00 44.53 C ATOM 471 O ARG A 30 3.381 4.495 4.992 1.00 1.44 O ATOM 472 CB ARG A 30 3.193 1.651 6.529 1.00 15.41 C ATOM 473 CG ARG A 30 2.917 1.083 7.944 1.00 51.22 C ATOM 474 CD ARG A 30 2.628 2.150 9.032 1.00 51.44 C ATOM 475 NE ARG A 30 1.188 2.472 9.123 1.00 51.15 N ATOM 476 CZ ARG A 30 0.674 3.661 9.496 1.00 3.54 C ATOM 477 NH1 ARG A 30 1.460 4.688 9.818 1.00 41.44 N ATOM 478 NH2 ARG A 30 -0.639 3.810 9.563 1.00 4.21 N ATOM 0 H ARG A 30 0.863 1.069 5.613 1.00 31.12 H new ATOM 0 HA ARG A 30 1.961 3.390 6.803 1.00 44.34 H new ATOM 0 HB2 ARG A 30 3.233 0.818 5.828 1.00 15.41 H new ATOM 0 HB3 ARG A 30 4.180 2.113 6.532 1.00 15.41 H new ATOM 0 HG2 ARG A 30 2.066 0.404 7.887 1.00 51.22 H new ATOM 0 HG3 ARG A 30 3.777 0.491 8.256 1.00 51.22 H new ATOM 0 HD2 ARG A 30 2.980 1.788 9.998 1.00 51.44 H new ATOM 0 HD3 ARG A 30 3.189 3.057 8.808 1.00 51.44 H new ATOM 0 HE ARG A 30 0.528 1.732 8.883 1.00 51.15 H new ATOM 0 HH11 ARG A 30 2.474 4.584 9.785 1.00 41.44 H new ATOM 0 HH12 ARG A 30 1.047 5.578 10.097 1.00 41.44 H new ATOM 0 HH21 ARG A 30 -1.253 3.029 9.333 1.00 4.21 H new ATOM 0 HH22 ARG A 30 -1.037 4.706 9.844 1.00 4.21 H new ATOM 492 N THR A 31 2.600 2.889 3.581 1.00 10.44 N ATOM 493 CA THR A 31 3.061 3.534 2.334 1.00 22.30 C ATOM 494 C THR A 31 2.244 4.817 2.066 1.00 61.03 C ATOM 495 O THR A 31 2.825 5.838 1.733 1.00 35.31 O ATOM 496 CB THR A 31 2.986 2.555 1.110 1.00 52.05 C ATOM 497 OG1 THR A 31 3.826 1.422 1.368 1.00 3.12 O ATOM 498 CG2 THR A 31 3.423 3.196 -0.224 1.00 74.50 C ATOM 0 H THR A 31 2.140 1.991 3.435 1.00 10.44 H new ATOM 0 HA THR A 31 4.109 3.805 2.463 1.00 22.30 H new ATOM 0 HB THR A 31 1.939 2.271 1.001 1.00 52.05 H new ATOM 0 HG1 THR A 31 3.351 0.786 1.943 1.00 3.12 H new ATOM 0 HG21 THR A 31 3.345 2.460 -1.024 1.00 74.50 H new ATOM 0 HG22 THR A 31 2.778 4.046 -0.448 1.00 74.50 H new ATOM 0 HG23 THR A 31 4.455 3.536 -0.143 1.00 74.50 H new ATOM 506 N LYS A 32 0.906 4.759 2.269 1.00 24.45 N ATOM 507 CA LYS A 32 0.014 5.936 2.131 1.00 21.33 C ATOM 508 C LYS A 32 0.442 7.057 3.091 1.00 75.12 C ATOM 509 O LYS A 32 0.608 8.210 2.682 1.00 51.22 O ATOM 510 CB LYS A 32 -1.478 5.556 2.404 1.00 5.52 C ATOM 511 CG LYS A 32 -2.156 4.719 1.297 1.00 40.21 C ATOM 512 CD LYS A 32 -2.132 5.432 -0.078 1.00 33.32 C ATOM 513 CE LYS A 32 -3.053 4.775 -1.103 1.00 33.21 C ATOM 514 NZ LYS A 32 -4.468 4.798 -0.658 1.00 5.55 N ATOM 0 H LYS A 32 0.418 3.903 2.531 1.00 24.45 H new ATOM 0 HA LYS A 32 0.100 6.290 1.103 1.00 21.33 H new ATOM 0 HB2 LYS A 32 -1.529 5.000 3.340 1.00 5.52 H new ATOM 0 HB3 LYS A 32 -2.050 6.473 2.546 1.00 5.52 H new ATOM 0 HG2 LYS A 32 -1.652 3.756 1.213 1.00 40.21 H new ATOM 0 HG3 LYS A 32 -3.189 4.515 1.580 1.00 40.21 H new ATOM 0 HD2 LYS A 32 -2.426 6.473 0.053 1.00 33.32 H new ATOM 0 HD3 LYS A 32 -1.112 5.435 -0.462 1.00 33.32 H new ATOM 0 HE2 LYS A 32 -2.963 5.292 -2.058 1.00 33.21 H new ATOM 0 HE3 LYS A 32 -2.739 3.744 -1.267 1.00 33.21 H new ATOM 0 HZ1 LYS A 32 -5.092 4.668 -1.479 1.00 5.55 H new ATOM 0 HZ2 LYS A 32 -4.630 4.031 0.025 1.00 5.55 H new ATOM 0 HZ3 LYS A 32 -4.675 5.712 -0.207 1.00 5.55 H new ATOM 528 N GLU A 33 0.624 6.680 4.366 1.00 35.55 N ATOM 529 CA GLU A 33 1.030 7.598 5.435 1.00 35.31 C ATOM 530 C GLU A 33 2.459 8.110 5.206 1.00 22.33 C ATOM 531 O GLU A 33 2.779 9.200 5.631 1.00 22.33 O ATOM 532 CB GLU A 33 0.909 6.926 6.832 1.00 23.40 C ATOM 533 CG GLU A 33 -0.518 6.483 7.231 1.00 63.11 C ATOM 534 CD GLU A 33 -1.550 7.622 7.241 1.00 12.10 C ATOM 535 OE1 GLU A 33 -1.579 8.403 8.218 1.00 24.43 O ATOM 536 OE2 GLU A 33 -2.353 7.731 6.285 1.00 61.52 O ATOM 0 H GLU A 33 0.492 5.720 4.684 1.00 35.55 H new ATOM 0 HA GLU A 33 0.352 8.451 5.411 1.00 35.31 H new ATOM 0 HB2 GLU A 33 1.562 6.054 6.855 1.00 23.40 H new ATOM 0 HB3 GLU A 33 1.280 7.622 7.585 1.00 23.40 H new ATOM 0 HG2 GLU A 33 -0.853 5.710 6.540 1.00 63.11 H new ATOM 0 HG3 GLU A 33 -0.482 6.031 8.222 1.00 63.11 H new ATOM 543 N GLU A 34 3.301 7.306 4.519 1.00 22.43 N ATOM 544 CA GLU A 34 4.699 7.675 4.212 1.00 21.14 C ATOM 545 C GLU A 34 4.741 8.763 3.121 1.00 3.32 C ATOM 546 O GLU A 34 5.507 9.726 3.224 1.00 42.54 O ATOM 547 CB GLU A 34 5.516 6.428 3.771 1.00 24.32 C ATOM 548 CG GLU A 34 7.025 6.679 3.541 1.00 32.34 C ATOM 549 CD GLU A 34 7.762 7.199 4.794 1.00 60.13 C ATOM 550 OE1 GLU A 34 8.174 6.383 5.642 1.00 63.14 O ATOM 551 OE2 GLU A 34 7.934 8.430 4.940 1.00 1.21 O ATOM 0 H GLU A 34 3.032 6.388 4.164 1.00 22.43 H new ATOM 0 HA GLU A 34 5.154 8.075 5.118 1.00 21.14 H new ATOM 0 HB2 GLU A 34 5.404 5.653 4.529 1.00 24.32 H new ATOM 0 HB3 GLU A 34 5.084 6.037 2.850 1.00 24.32 H new ATOM 0 HG2 GLU A 34 7.493 5.751 3.213 1.00 32.34 H new ATOM 0 HG3 GLU A 34 7.146 7.400 2.733 1.00 32.34 H new ATOM 558 N GLU A 35 3.894 8.608 2.088 1.00 52.11 N ATOM 559 CA GLU A 35 3.817 9.568 0.967 1.00 73.02 C ATOM 560 C GLU A 35 3.133 10.880 1.401 1.00 63.14 C ATOM 561 O GLU A 35 3.352 11.934 0.792 1.00 41.43 O ATOM 562 CB GLU A 35 3.054 8.959 -0.237 1.00 54.15 C ATOM 563 CG GLU A 35 3.555 7.582 -0.713 1.00 2.01 C ATOM 564 CD GLU A 35 5.059 7.520 -1.025 1.00 24.33 C ATOM 565 OE1 GLU A 35 5.469 8.033 -2.088 1.00 24.34 O ATOM 566 OE2 GLU A 35 5.831 6.924 -0.233 1.00 61.13 O ATOM 0 H GLU A 35 3.249 7.823 2.004 1.00 52.11 H new ATOM 0 HA GLU A 35 4.840 9.790 0.662 1.00 73.02 H new ATOM 0 HB2 GLU A 35 2.001 8.870 0.030 1.00 54.15 H new ATOM 0 HB3 GLU A 35 3.113 9.656 -1.073 1.00 54.15 H new ATOM 0 HG2 GLU A 35 3.326 6.842 0.054 1.00 2.01 H new ATOM 0 HG3 GLU A 35 3.000 7.297 -1.607 1.00 2.01 H new ATOM 573 N CYS A 36 2.290 10.792 2.445 1.00 72.33 N ATOM 574 CA CYS A 36 1.547 11.940 3.005 1.00 13.11 C ATOM 575 C CYS A 36 2.054 12.292 4.434 1.00 64.24 C ATOM 576 O CYS A 36 1.321 12.917 5.212 1.00 51.43 O ATOM 577 CB CYS A 36 0.026 11.605 3.014 1.00 34.53 C ATOM 578 SG CYS A 36 -0.637 11.033 1.405 1.00 33.14 S ATOM 0 H CYS A 36 2.102 9.915 2.930 1.00 72.33 H new ATOM 0 HA CYS A 36 1.717 12.817 2.381 1.00 13.11 H new ATOM 0 HB2 CYS A 36 -0.159 10.835 3.763 1.00 34.53 H new ATOM 0 HB3 CYS A 36 -0.526 12.492 3.325 1.00 34.53 H new